Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ru”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,801 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CoH16RuN10ClO10 by Materials Project

RuH(NO2)5CoN5H15Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CoN5H15Cl clusters and four RuH(NO2)5 clusters. In each CoN5H15Cl cluster, Co2+ is bonded in an octahedral geometry to five N+0.20- and one Cl1- atom. There are a spread of Co–N bond distances ranging from 1.95–1.99 Å. The Co–Cl bond length is 2.31 Å. There are five inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Co2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the second N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Co2+ and three H1+ atoms. There is two shorter (1.02 Å) and one longer (1.04 Å) N–H bond length. In the third N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Co2+ and three H1+ atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fourth N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Co2+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the fifth N+0.20- site, N+0.20- is bonded in a distorted trigonal non-coplanar geometry to one Co2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are fifteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.20- atom. Cl1- is bonded in a single-bond geometry to one Co2+ atom. In each RuH(NO2)5 cluster, Ru5+ is bonded in an octahedral geometry to five N+0.20- and one O2- atom. There are a spread of Ru–N bond distances ranging from 1.77–2.15 Å. The Ru–O bond length is 1.98 Å. There are five inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a linear geometry to one Ru5+ and one O2- atom. The N–O bond length is 1.17 Å. In the second N+0.20- site, N+0.20- is bonded in a distorted trigonal planar geometry to one Ru5+ and two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the third N+0.20- site, N+0.20- is bonded in a distorted trigonal planar geometry to one Ru5+ and two O2- atoms. Both N–O bond lengths are 1.25 Å. In the fourth N+0.20- site, N+0.20- is bonded in a distorted trigonal planar geometry to one Ru5+ and two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) N–O bond length. In the fifth N+0.20- site, N+0.20- is bonded in a distorted trigonal planar geometry to one Ru5+ and two O2- atoms. Both N–O bond lengths are 1.25 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+0.20- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N+0.20- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N+0.20- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N+0.20- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N+0.20- atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+0.20- atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+0.20- atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one N+0.20- atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one N+0.20- atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Ru5+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H18RuC6(SCl)3 by Materials Project

RuC6H18(SCl)3 is beta-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four RuC6H18(SCl)3 clusters. Ru5+ is bonded in an octahedral geometry to three S2- and three Cl1- atoms. There are a spread of Ru–S bond distances ranging from 2.39–2.41 Å. There are a spread of Ru–Cl bond distances ranging from 2.36–2.39 Å. There are six inequivalent C+2.33- sites. In the first C+2.33- site, C+2.33- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–S bond length is 1.81 Å. In the second C+2.33- site, C+2.33- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–S bond length is 1.81 Å. In the third C+2.33- site, C+2.33- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–S bond length is 1.81 Å. In the fourth C+2.33- site, C+2.33- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–S bond length is 1.80 Å. In the fifth C+2.33- site, C+2.33- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–S bond length is 1.80 Å. In the sixth C+2.33- site, C+2.33- is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. The C–S bond length is 1.81 Å. There are eighteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.33- atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Ru5+ and two C+2.33- atoms. In the second S2- site, S2- is bonded in a trigonal non-coplanar geometry to one Ru5+ and two C+2.33- atoms. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Ru5+ and two C+2.33- atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H28RuS2(N3O5)2 by Materials Project

RuH16S2(NO2)4(NH4)2(H2O)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonium molecules, four water molecules, and two RuH16S2(NO2)4 clusters. In each RuH16S2(NO2)4 cluster, Ru6+ is bonded in an octahedral geometry to four N+1.67- and two equivalent S2- atoms. All Ru–N bond lengths are 2.15 Å. Both Ru–S bond lengths are 2.30 Å. There are two inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded in a distorted trigonal non-coplanar geometry to one Ru6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the second N+1.67- site, N+1.67- is bonded in a distorted trigonal non-coplanar geometry to one Ru6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+1.67- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+1.67- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.67- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.67- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N+1.67- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.67- atom. S2- is bonded in a distorted trigonal non-coplanar geometry to one Ru6+ and three O2- atoms. There is two shorter (1.53 Å) and one longer (1.55 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one S2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tc3Ru by Materials Project

Tc3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded to eight equivalent Tc+1.67- and four equivalent Ru5+ atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent RuTc12 cuboctahedra, corners with fourteen equivalent TcTc8Ru4 cuboctahedra, edges with six equivalent RuTc12 cuboctahedra, edges with twelve equivalent TcTc8Ru4 cuboctahedra, faces with four equivalent RuTc12 cuboctahedra, and faces with sixteen TcTc8Ru4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.69–2.79 Å. There are two shorter (2.71 Å) and two longer (2.76 Å) Tc–Ru bond lengths. In the second Tc+1.67- site, Tc+1.67- is bonded to eight equivalent Tc+1.67- and four equivalent Ru5+ atoms to form distorted TcTc8Ru4 cuboctahedra that share corners with four equivalent RuTc12 cuboctahedra, corners with fourteen TcTc8Ru4 cuboctahedra, edges with six equivalent RuTc12 cuboctahedra, edges with twelve equivalent TcTc8Ru4 cuboctahedra, faces with four equivalent RuTc12 cuboctahedra, and faces with sixteen TcTc8Ru4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.69–2.79 Å. There are two shorter (2.71 Å) and two longer (2.76 Å) Tc–Ru bond lengths. Ru5+ is bonded to twelve Tc+1.67- atoms to form RuTc12 cuboctahedra that share corners with six equivalent RuTc12 cuboctahedra, corners with twelve TcTc8Ru4 cuboctahedra, edges with eighteen TcTc8Ru4 cuboctahedra, faces with eight equivalent RuTc12 cuboctahedra, and faces with twelve TcTc8Ru4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2Si5Ru3 by Materials Project

Er2Ru3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Er3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Er–Si bond distances ranging from 2.96–3.32 Å. There are two inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded to five Si+2.40- atoms to form a mixture of distorted edge and corner-sharing RuSi5 trigonal bipyramids. There are one shorter (2.37 Å) and four longer (2.43 Å) Ru–Si bond lengths. In the second Ru2+ site, Ru2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.44 Å) and two longer (2.52 Å) Ru–Si bond lengths. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 4-coordinate geometry to four equivalent Er3+ and four equivalent Ru2+ atoms. In the second Si+2.40- site, Si+2.40- is bonded in a 11-coordinate geometry to four equivalent Er3+, three Ru2+, and four Si+2.40- atoms. There are two shorter (2.54 Å) and two longer (2.79 Å) Si–Si bond lengths. In the third Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to four equivalent Er3+, three Ru2+, and two equivalent Si+2.40- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba2MnRuO6 by Materials Project

Ba2MnRuO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent MnO6 octahedra, faces with seven BaO12 cuboctahedra, faces with three equivalent MnO6 octahedra, and faces with four equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 7–9°. There are a spread of Ba–O bond distances ranging from 2.86–3.13 Å. In the second Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with nine BaO12 cuboctahedra, corners with three equivalent RuO6 octahedra, faces with seven BaO12 cuboctahedra, faces with three equivalent RuO6 octahedra, and faces with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 5–13°. There are a spread of Ba–O bond distances ranging from 2.92–3.05 Å. In the third Ba2+ site, Ba2+ is bonded to twelve O2- atoms to form BaO12 cuboctahedra that share corners with twelve BaO12 cuboctahedra, faces with six BaO12 cuboctahedra, faces with four MnO6 octahedra, and faces with four RuO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.91–3.04 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent RuO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one RuO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Mn–O bond distances ranging from 1.95–2.15 Å. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 4–8°. There are four shorter (2.08 Å) and two longer (2.20 Å) Mn–O bond lengths. There are two inequivalent Ru6+ sites. In the first Ru6+ site, Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with three equivalent BaO12 cuboctahedra, corners with three equivalent MnO6 octahedra, faces with seven BaO12 cuboctahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–8°. There are a spread of Ru–O bond distances ranging from 1.91–2.08 Å. In the second Ru6+ site, Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (1.99 Å) and two longer (2.03 Å) Ru–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Mn2+, and one Ru6+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+, one Mn2+, and one Ru6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+, one Mn2+, and one Ru6+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Mn2+, and one Ru6+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Mn2+, and one Ru6+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+, one Mn2+, and one Ru6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TeAsRu by Materials Project

RuAsTe is Spinel-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ru5+ is bonded to three equivalent As3- and three equivalent Te2- atoms to form RuTe3As3 octahedra that share corners with eight equivalent RuTe3As3 octahedra, corners with three equivalent AsTeRu3 tetrahedra, corners with three equivalent TeAsRu3 tetrahedra, and edges with two equivalent RuTe3As3 octahedra. The corner-sharing octahedra tilt angles range from 49–61°. There are two shorter (2.45 Å) and one longer (2.46 Å) Ru–As bond lengths. There are one shorter (2.68 Å) and two longer (2.70 Å) Ru–Te bond lengths. As3- is bonded to three equivalent Ru5+ and one Te2- atom to form AsTeRu3 tetrahedra that share corners with three equivalent RuTe3As3 octahedra, corners with four equivalent AsTeRu3 tetrahedra, corners with nine equivalent TeAsRu3 tetrahedra, and an edgeedge with one AsTeRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 74–75°. The As–Te bond length is 2.74 Å. Te2- is bonded to three equivalent Ru5+ and one As3- atom to form TeAsRu3 tetrahedra that share corners with three equivalent RuTe3As3 octahedra, corners with four equivalent TeAsRu3 tetrahedra, corners with nine equivalent AsTeRu3 tetrahedra, and an edgeedge with one TeAsRu3 tetrahedra. The corner-sharing octahedra tilt angles range from 72–77°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Si4OsRu3 by Materials Project

Ce2OsRu3Si4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to two equivalent Os2- and eight Si4- atoms. Both Ce–Os bond lengths are 3.20 Å. There are four shorter (3.23 Å) and four longer (3.24 Å) Ce–Si bond lengths. Os2- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Si4- atoms. All Os–Si bond lengths are 2.40 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.39 Å. In the second Ru4+ site, Ru4+ is bonded to four equivalent Si4- atoms to form distorted corner-sharing RuSi4 tetrahedra. All Ru–Si bond lengths are 2.40 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Os2-, and two equivalent Ru4+ atoms. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Ce3+ and four equivalent Ru4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba4Ru3O10 by Materials Project

Ba4Ru3O10 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.64–3.00 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.23 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six O2- atoms to form face-sharing RuO6 octahedra. There are four shorter (2.05 Å) and two longer (2.06 Å) Ru–O bond lengths. In the second Ru4+ site, Ru4+ is bonded to six O2- atoms to form a mixture of corner and face-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Ru–O bond distances ranging from 1.95–2.14 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ba2+ and two Ru4+ atoms to form a mixture of distorted corner and edge-sharing OBa4Ru2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ru4+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Ba2+ and two Ru4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Ba2+ and one Ru4+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four Ba2+ and two equivalent Ru4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrCa3(RuO4)2 by Materials Project

SrCa3(RuO4)2 crystallizes in the orthorhombic Iba2 space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.69 Å. There are three inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.27–2.69 Å. In the second Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.69 Å. In the third Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.27–2.69 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of Ru–O bond distances ranging from 1.97–2.08 Å. In the second Ru4+ site, Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are a spread of Ru–O bond distances ranging from 1.95–2.15 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+, four equivalent Ca2+, and one Ru4+ atom to form OSrCa4Ru octahedra that share corners with five OSrCa4Ru octahedra, corners with four equivalent OCa2Ru2 tetrahedra, edges with eight OSrCa4Ru octahedra, and edges with four equivalent OCa2Ru2 tetrahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded to five Ca2+ and one Ru4+ atom to form distorted OCa5Ru octahedra that share corners with five OSr4CaRu octahedra, corners with two equivalent OCa2Ru2 tetrahedra, and edges with eight OCa5Ru octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Ca2+, and one Ru4+ atom to form OSr4CaRu octahedra that share corners with five OCa5Ru octahedra, corners with two equivalent OCa2Ru2 tetrahedra, and edges with eight OSrCa4Ru octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the fourth O2- site, O2- is bonded to five Ca2+ and one Ru4+ atom to form OCa5Ru octahedra that share corners with five OSrCa4Ru octahedra, corners with four equivalent OCa2Ru2 tetrahedra, edges with eight OCa5Ru octahedra, and edges with four equivalent OCa2Ru2 tetrahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one Ca2+, and two equivalent Ru4+ atoms. In the sixth O2- site, O2- is bonded to two Ca2+ and two equivalent Ru4+ atoms to form distorted OCa2Ru2 tetrahedra that share corners with six OSrCa4Ru octahedra, corners with six equivalent OCa2Ru2 tetrahedra, edges with four OSrCa4Ru octahedra, and an edgeedge with one OCa2Ru2 tetrahedra. The corner-sharing octahedra tilt angles range from 36–63°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3RuO4 by Materials Project

RuAg3O4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to six O2- atoms to form edge-sharing RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 1.89–2.10 Å. In the second Ru5+ site, Ru5+ is bonded to six O2- atoms to form edge-sharing RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 1.87–2.12 Å. There are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.36–2.95 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.78 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted linear geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.20–2.97 Å. In the fourth Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.40–2.75 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.90 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.19–2.77 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.40–2.74 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ru5+ and five Ag1+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three Ru5+ and three Ag1+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Ru5+ and four Ag1+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ru5+ and five Ag1+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Ru5+ and four Ag1+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Ru5+ and five Ag1+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Ru5+ and four Ag1+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Ru5+ and three Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YPRu2C by Materials Project

YRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Y–C bond lengths are 2.64 Å. There are one shorter (3.06 Å) and two longer (3.12 Å) Y–P bond lengths. Ru2+ is bonded in a distorted single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.87 Å. There are one shorter (2.43 Å) and two longer (2.47 Å) Ru–P bond lengths. C4- is bonded to four equivalent Y3+ and two equivalent Ru2+ atoms to form a mixture of edge and corner-sharing CY4Ru2 octahedra. The corner-sharing octahedral tilt angles are 21°. P3- is bonded in a 9-coordinate geometry to three equivalent Y3+ and six equivalent Ru2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmPRu2C by Materials Project

SmRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Sm–C bond lengths are 2.68 Å. There are one shorter (3.04 Å) and two longer (3.13 Å) Sm–P bond lengths. Ru2+ is bonded in a single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.87 Å. There are one shorter (2.45 Å) and two longer (2.48 Å) Ru–P bond lengths. C4- is bonded to four equivalent Sm3+ and two equivalent Ru2+ atoms to form a mixture of corner and edge-sharing CSm4Ru2 octahedra. The corner-sharing octahedral tilt angles are 22°. P3- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Ru2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2HRuCl5 by Materials Project

K2RuHCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.16–3.62 Å. Ru2+ is bonded in an octahedral geometry to one H1+ and five Cl1- atoms. The Ru–H bond length is 1.60 Å. There are a spread of Ru–Cl bond distances ranging from 2.29–2.58 Å. H1+ is bonded in a single-bond geometry to one Ru2+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one Ru2+ atom to form a mixture of distorted face, edge, and corner-sharing ClK4Ru square pyramids. In the second Cl1- site, Cl1- is bonded to four equivalent K1+ and one Ru2+ atom to form a mixture of face, edge, and corner-sharing ClK4Ru square pyramids. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Ru2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Ru2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RuSeS by Materials Project

RuSeS is Pyrite-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ru4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form RuSe3S3 octahedra that share corners with twelve equivalent RuSe3S3 octahedra, corners with three equivalent SeRu3S tetrahedra, and corners with three equivalent SRu3Se tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Ru–Se bond lengths are 2.48 Å. All Ru–S bond lengths are 2.39 Å. Se2- is bonded to three equivalent Ru4+ and one S2- atom to form distorted SeRu3S tetrahedra that share corners with three equivalent RuSe3S3 octahedra, corners with six equivalent SeRu3S tetrahedra, and corners with nine equivalent SRu3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°. The Se–S bond length is 2.38 Å. S2- is bonded to three equivalent Ru4+ and one Se2- atom to form distorted SRu3Se tetrahedra that share corners with three equivalent RuSe3S3 octahedra, corners with six equivalent SRu3Se tetrahedra, and corners with nine equivalent SeRu3S tetrahedra. The corner-sharing octahedral tilt angles are 78°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmBi3(Ru2O7)2 by Materials Project

SmBi3(Ru2O7)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded to eight O2- atoms to form distorted SmO8 hexagonal bipyramids that share edges with six equivalent BiO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.23 Å) and six longer (2.56 Å) Sm–O bond lengths. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and edges with six equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Ru–O bond lengths are 2.01 Å. In the second Ru4+ site, Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six RuO6 octahedra, edges with two equivalent SmO8 hexagonal bipyramids, and edges with four equivalent BiO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. There are four shorter (2.01 Å) and two longer (2.03 Å) Ru–O bond lengths. Bi3+ is bonded to eight O2- atoms to form distorted BiO8 hexagonal bipyramids that share edges with two equivalent SmO8 hexagonal bipyramids, edges with four equivalent BiO8 hexagonal bipyramids, and edges with six RuO6 octahedra. There are a spread of Bi–O bond distances ranging from 2.26–2.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sm3+ and three equivalent Bi3+ atoms to form corner-sharing OSmBi3 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Ru4+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sm3+, two equivalent Ru4+, and one Bi3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyPRu2C by Materials Project

DyRu2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy3+ is bonded in a 4-coordinate geometry to four equivalent C4- and three equivalent P3- atoms. All Dy–C bond lengths are 2.63 Å. There are one shorter (3.05 Å) and two longer (3.12 Å) Dy–P bond lengths. Ru2+ is bonded in a distorted single-bond geometry to one C4- and three equivalent P3- atoms. The Ru–C bond length is 1.86 Å. There are one shorter (2.42 Å) and two longer (2.46 Å) Ru–P bond lengths. C4- is bonded to four equivalent Dy3+ and two equivalent Ru2+ atoms to form a mixture of edge and corner-sharing CDy4Ru2 octahedra. The corner-sharing octahedral tilt angles are 21°. P3- is bonded in a 9-coordinate geometry to three equivalent Dy3+ and six equivalent Ru2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErLu(B2Ru)2 by Materials Project

LuEr(RuB2)2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Lu–B bond distances ranging from 2.59–2.94 Å. Er3+ is bonded in a 8-coordinate geometry to eight B3- atoms. There are a spread of Er–B bond distances ranging from 2.61–2.95 Å. There are two inequivalent Ru3+ sites. In the first Ru3+ site, Ru3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Ru–B bond distances ranging from 2.23–2.26 Å. In the second Ru3+ site, Ru3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Ru–B bond distances ranging from 2.24–2.27 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Lu3+, two equivalent Er3+, three Ru3+, and two B3- atoms. There is one shorter (1.77 Å) and one longer (1.85 Å) B–B bond length. In the second B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Lu3+, two equivalent Er3+, three Ru3+, and two B3- atoms. The B–B bond length is 1.74 Å.

36 MATERIALS SCIENCE↗

Refine your search to explore more results.